3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide

C22H25N3O2 — CID 10451362

IUPAC3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide
SMILESNC(=O)c1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
InChIInChI=1S/C22H25N3O2/c23-22(26)18-7-8-19-20(24-27-21(19)14-18)9-6-16-10-12-25(13-11-16)15-17-4-2-1-3-5-17/h1-5,7-8,14,16H,6,9-13,15H2,(H2,23,26)
InChIKeyOCXWMIZAVHITQO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.77
Rot. Bonds6

About 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide

3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide (PubChem CID 10451362) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide
PubChem CID10451362
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide
SMILESNC(=O)c1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
InChIInChI=1S/C22H25N3O2/c23-22(26)18-7-8-19-20(24-27-21(19)14-18)9-6-16-10-12-25(13-11-16)15-17-4-2-1-3-5-17/h1-5,7-8,14,16H,6,9-13,15H2,(H2,23,26)
InChIKeyOCXWMIZAVHITQO-UHFFFAOYSA-N
XLogP3.77
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide?
The IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide (CID 10451362) is 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide.
What is the SMILES notation for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide?
The canonical SMILES for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide is NC(=O)c1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1.
What is the InChIKey of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide?
The InChIKey is OCXWMIZAVHITQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c23-22(26)18-7-8-19-20(24-27-21(19)14-18)9-6-16-10-12-25(13-11-16)15-17-4-2-1-3-5-17/h1-5,7-8,14,16H,6,9-13,15H2,(H2,23,26).
What are the key properties of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide?
3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-carboxamide is sourced from PubChem (CID 10451362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).